General Information of the Compound
| Compound ID |
CP0536499
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| Compound Name |
(2E)-2-[[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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| Structure |
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| Formula |
C28H31N5O3S
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| Molecular Weight |
517.655
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| Canonical SMILES |
CC1CCN(CC1)c1cc(N2CCC(C)CC2)c(cc1\C=c1\sc2nc3ccccc3n2c1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C28H31N5O3S/c1-18-7-11-30(12-8-18)23-17-24(31-13-9-19(2)10-14-31)25(33(35)36)15-20(23)16-26-27(34)32-22-6-4-3-5-21(22)29-28(32)37-26/h3-6,15-19H,7-14H2,1-2H3/b26-16+
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| InChIKey |
ULQUYWVWBYTTFP-WGOQTCKBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound